Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3878650078
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 23 USD | 98 | 16 working days | Get Quote |
| 5 mg | 36 USD | 98 | 16 working days | Get Quote |
| 10 mg | 52 USD | 98 | 16 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
1
MCULE-4521011475
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3878650078.sdf |
| SMILES | MCULE-3878650078.smiles |
| Standard InChI | MCULE-3878650078.inchi |
| InChIKey | MCULE-3878650078.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-608269735 | 98 | As is | in stock |
| P-1271451408 | 97 | As is | by synthesis |
| P-890166554 | N/A | Main component | in stock |
| P-894627878 | 95 | Main component | by resynthesis (? - ? days) |
| P-903211879 | 97 | Main component | 500 mg |
| P-610974149 | 90 | Main component | 809 mg |
| P-596981126 | 97 | Main component | 500 mg |
| P-1273450718 | 95 | Main component | by resynthesis (? - ? days) |
| P-864156365 | 95 | Main component | in stock |
| P-893243299 | 95 | Main component | in stock |
| P-861360727 | 95 | Main component | by synthesis |
| P-889435532 | 98 | Main component | 60 mg |
| P-873243906 | 97 | Main component | 5 mg |
| P-563644366 | 95 | Main component | 50 mg |
| P-888174029 | 98 | Main component | by synthesis |
| P-888862565 | N/A | Main component | in stock |
| P-892291623 | 95 | Main component | unavailable |
| P-869128192 | 95 | Main component | 50 mg |
| P-888641003 | 95 | Main component | 50 mg |
| P-906836176 | 98 | Main component | by synthesis |
| P-1271696628 | 97 | Main component | in stock |
| P-596563197 | 97 | Main component as a main component | 5 mg |
| P-608269736 | 98 | Main component as a main component | in stock |
| P-885539197 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 356.847 |
| logP | 4.4225 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 72.94 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 104.9266 |
| Atoms | 46 |
| Rings | 4 |
| Heavy atoms | 25 |
| Hydrogen atoms | 21 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
